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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 17939Generated: October 29, 2026

6-Bromo-2,2,4,4-tetrafluoro-1,3-benzodioxane → 2,2,4,4-tetrafluoro-4H-benzo[1,3]dioxine-6-carboxylic acid methyl ester

https://huagongshe.com/reaction/17939

Reaction equation

Participants

RoleNameHCIDCharge
Reactant6-Bromo-2,2,4,4-tetrafluoro-1,3-benzodioxaneHCID 2773410—
CatalystHCID 178418397HCID 178418397—
SolventMethanolHCID 887—
SolventAcetonitrileHCID 6342—
SolventTriethylamineHCID 8471—
Product2,2,4,4-tetrafluoro-4H-benzo[1,3]dioxine-6-carboxylic acid methyl esterHCID 59166166169.8%

Reaction Conditions

Temperature75 °C

Reaction Steps

A suspension of 6-bromo-2,2,4,4-tetrafluoro-4H-benzo[1,3]dioxine (4.75 g, 16.6 mmol) and Pd(PPh3)4 (950 mg, 8.23 mmol) in MeOH (20 mL), MeCN (30 mL) and Et3N (10 mL) was stirred under carbon monoxide atmosphere (55 psi) at 75° C. (oil bath temperature) overnight. The cooled reaction mixture was filtered and the filtrate was concentrated. The residue was purified by silica gel column (Petroleum Ether) to give 2,2,4,4-tetrafluoro-4H-benzo[1,3]dioxine-6-carboxylic acid methyl ester (3.75 g, 85%). 1H NMR (CDCl3, 300 MHz) δ 8.34 (s, 1H), 8.26 (dd, J=2.1, 8.7 Hz, 1H), 7.22 (d, J=8.7 Hz, 1H), 3.96 (s, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07741321B2
Source datasetuspto-grants-2010_06
ORD IDord-e8c2c8636f514e61b01499447d8c5ee0
Source noteuspto-grants-2010_06